4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide

C18H12F6N2O2 — CID 135335652

IUPAC4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
SMILESNC(=O)c1ccc(C2=NO[C@@](c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C18H12F6N2O2/c19-17(20,21)13-3-1-2-12(8-13)16(18(22,23)24)9-14(26-28-16)10-4-6-11(7-5-10)15(25)27/h1-8H,9H2,(H2,25,27)/t16-/m0/s1
InChIKeySNRFIKMEVKAKSB-INIZCTEOSA-N
MW402.29 g/mol
LogP4.39
Rot. Bonds3

About 4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide

4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide (PubChem CID 135335652) has the molecular formula C18H12F6N2O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
PubChem CID135335652
Molecular FormulaC18H12F6N2O2
Molecular Weight402.29 g/mol
Exact Mass402.08
IUPAC Name4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
SMILESNC(=O)c1ccc(C2=NO[C@@](c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C18H12F6N2O2/c19-17(20,21)13-3-1-2-12(8-13)16(18(22,23)24)9-14(26-28-16)10-4-6-11(7-5-10)15(25)27/h1-8H,9H2,(H2,25,27)/t16-/m0/s1
InChIKeySNRFIKMEVKAKSB-INIZCTEOSA-N
XLogP4.39
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The IUPAC name of 4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide (CID 135335652) is 4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for 4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for 4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide is NC(=O)c1ccc(C2=NO[C@@](c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1.
What is the InChIKey of 4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The InChIKey is SNRFIKMEVKAKSB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H12F6N2O2/c19-17(20,21)13-3-1-2-12(8-13)16(18(22,23)24)9-14(26-28-16)10-4-6-11(7-5-10)15(25)27/h1-8H,9H2,(H2,25,27)/t16-/m0/s1.
What are the key properties of 4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide has a molecular weight of 402.29 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 135335652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).